Zengkui Liu
Affiliations: | 2020-2024 | Chemistry | New York University, New York, NY, United States |
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| Liu Z, Brian D, Sun X. (2024) PyCTRAMER: A Python package for charge transfer rate constant of condensed-phase systems from Marcus theory to Fermi's golden rule. The Journal of Chemical Physics. 161 |
| Liu Z, Lyu N, Hu Z, et al. (2024) Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics. The Journal of Chemical Physics. 161 |
| Sun X, Liu Z. (2024) Semiclassical approaches to perturbative time-convolution and time-convolutionless quantum master equations for electronic transitions in multistate systems. The Journal of Chemical Physics. 160 |
| Liu Z, Sun X. (2024) Instantaneous Marcus theory for photoinduced charge transfer dynamics in multistate harmonic model systems. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 36 |
| Liu Z, Song Z, Sun X. (2024) All-Atom Photoinduced Charge Transfer Dynamics in Condensed Phase via Multistate Nonlinear-Response Instantaneous Marcus Theory. Journal of Chemical Theory and Computation |
| Sun X, Zhang X, Liu Z. (2024) Generalized nonequilibrium Fermi's golden rule and its semiclassical approximations for electronic transitions between multiple states. The Journal of Chemical Physics. 160 |
| Liu Z, Hu H, Sun X. (2023) Multistate Reaction Coordinate Model for Charge and Energy Transfer Dynamics in the Condensed Phase. Journal of Chemical Theory and Computation. 19: 7151-7170 |
| Hu Z, Liu Z, Sun X. (2022) Effects of Heterogeneous Protein Environment on Excitation Energy Transfer Dynamics in the Fenna-Matthews-Olson Complex. The Journal of Physical Chemistry. B. 126: 9271-9287 |
| Liu Z, Xu W, Tuckerman ME, et al. (2022) Imaginary-time open-chain path-integral approach for two-state time correlation functions and applications in charge transfer. The Journal of Chemical Physics. 157: 114111 |
| Brian D, Liu Z, Dunietz BD, et al. (2021) Three-state harmonic models for photoinduced charge transfer. The Journal of Chemical Physics. 154: 174105 |